# generated using pymatgen
data_Ba6MnFeN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18540900
_cell_length_b   8.18540846
_cell_length_c   5.55118405
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6MnFeN6
_chemical_formula_sum   'Ba6 Mn1 Fe1 N6'
_cell_volume   322.10465909
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.64054028  0.72522306  0.75000000  1.0
  Ba  Ba1  1  0.91780947  0.63560418  0.25000000  1.0
  Ba  Ba2  1  0.71779472  0.08219053  0.25000000  1.0
  Ba  Ba3  1  0.27477694  0.91531822  0.75000000  1.0
  Ba  Ba4  1  0.08468178  0.35945972  0.75000000  1.0
  Ba  Ba5  1  0.36439582  0.28220528  0.25000000  1.0
  Mn  Mn6  1  0.66666700  0.33333300  0.75000000  1.0
  Fe  Fe7  1  0.33333300  0.66666700  0.25000000  1.0
  N  N8  1  0.86743878  0.55021575  0.75000000  1.0
  N  N9  1  0.31967753  0.87064886  0.25000000  1.0
  N  N10  1  0.55097034  0.68032247  0.25000000  1.0
  N  N11  1  0.44978425  0.31722403  0.75000000  1.0
  N  N12  1  0.68277597  0.13256122  0.75000000  1.0
  N  N13  1  0.12935114  0.44902966  0.25000000  1.0